Research workbench
Mycolic acid methyltransferase hma (MMAA4) from mycobac-terium tuberculosis in complex with ZT424
Analyse Mycolic acid methyltransferase hma (MMAA4) from mycobac-terium tuberculosis in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q2E
- Type
- protein
- Length
- 282 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxymycolate synthase MMAA4
- EC
- 2.1.1.-
- UniProt
- Q79FX8
- Ligands
- 8N0
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxymycolate synthase MMAA4 (EC 2.1.1.-) | protein | 282 | 49% helix, 15% strand | Q79FX8 |
Ligands and binding sites
- 8N0 · 2-bromanylpyridin-3-ol · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 605 | 0.75 | 0.81 | 56 | 8N0, DMS |
| 2 | 52 | 0.31 | 0.76 | 13 | empty |
| 3 | 65 | 0.28 | 0.73 | 16 | empty |
Compared structures
- 7Q2E · mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q79FX8 · AlphaFold monomer V2.0 prediction for hydroxymycolate synthase MMAA4 (Q79FX8) · a predicted model of the same protein · chain A against A, TM-score 0.96
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q79FX8
- Elsewhere: RCSB PDB 7Q2E · PDBe 7Q2E · UniProt Q79FX8
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